| CAS Number | 1335220-63-7 |
| Catalog Number | AG00IZRE(AGN-PC-0WB0NF) |
| Chemical Name | 3-(4-Chloro-2-fluorophenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one |
| IUPAC Name | 3-(4-chloro-2-fluorophenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one |
| InChI | InChI=1S/C13H14ClFN2O2/c14-9-1-2-11(10(15)7-9)17-8-13(19-12(17)18)3-5-16-6-4-13/h1-2,7,16H,3-6,8H2 |
| InChI Key | RIXHSADSVPAZOJ-UHFFFAOYSA-N |
| MDL Number | MFCD20232921 |
| Molecular Formula | C13H14ClFN2O2 |
| Molecular Weight | 284.7139 |
| SMILES | ClC3(=CC(F)=C(N1(C(=O)OC2(C1)(CCNCC2)))C=C3) |
| Synonyms | 3-(4-chloro-2-fluorophenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one,
1335220-63-7,
ZX-RL003546,
chlorofluorophenyloxadiazaspirodecanone,
MFCD20232921,
ZINC71788984,
AKOS015991510,
KF-0010,
MCULE-4230545600,
RP15620,
KS-000027D8,
PC200359,
3-(4-Chloro-2-fluorophenyl)-1-oxa-3,8-diazaspiro-[4.5]decan-2-one,
|
| Complexity | 363 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 284.073g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 284.715g/mol |
| Monoisotopic Mass | 284.073g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number